(2S)-N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(4-methylphenoxy)propanamide

Systemtic Name: (2S)-N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(4-methylphenoxy)propanamide Openeye Name: (2S)-N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(4-methylphenoxy)propanamide CAS Name: (2S)-N-[5-chloro-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-(4-methylphenoxy)propanamide IUPAC Name: (2S)-N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(4-methylphenoxy)propanamide Traditional Name: (2S)-N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(4-methylphenoxy)propionamide Formula: C22H29ClN3O2+ MolecularWeight: 402.93756

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C(C)OC3=CC=C(C=C3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)[C@H](C)OC3=CC=C(C=C3)C

InChI

InChI=1S/C22H28ClN3O2/c1-4-25-11-13-26(14-12-25)21-10-7-18(23)15-20(21)24-22(27)17(3)28-19-8-5-16(2)6-9-19/h5-10,15,17H,4,11-14H2,1-3H3,(H,24,27)/p+1/t17-/m0/s1